5-(4-methoxyphenyl)-N-(2-pyridin-4-ylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C19H18N6O — CID 649273

IUPAC5-(4-methoxyphenyl)-N-(2-pyridin-4-ylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1ccc(-c2cc(NCCc3ccncc3)n3ncnc3n2)cc1
InChIInChI=1S/C19H18N6O/c1-26-16-4-2-15(3-5-16)17-12-18(25-19(24-17)22-13-23-25)21-11-8-14-6-9-20-10-7-14/h2-7,9-10,12-13,21H,8,11H2,1H3
InChIKeyWLRTVEZBMDSCMP-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.85
Rot. Bonds6

About 5-(4-methoxyphenyl)-N-(2-pyridin-4-ylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

5-(4-methoxyphenyl)-N-(2-pyridin-4-ylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 649273) has the molecular formula C19H18N6O and a molecular weight of 346.39 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-N-(2-pyridin-4-ylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-N-(2-pyridin-4-ylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID649273
Molecular FormulaC19H18N6O
Molecular Weight346.39 g/mol
Exact Mass346.15
IUPAC Name5-(4-methoxyphenyl)-N-(2-pyridin-4-ylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1ccc(-c2cc(NCCc3ccncc3)n3ncnc3n2)cc1
InChIInChI=1S/C19H18N6O/c1-26-16-4-2-15(3-5-16)17-12-18(25-19(24-17)22-13-23-25)21-11-8-14-6-9-20-10-7-14/h2-7,9-10,12-13,21H,8,11H2,1H3
InChIKeyWLRTVEZBMDSCMP-UHFFFAOYSA-N
XLogP2.85
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-N-(2-pyridin-4-ylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-(4-methoxyphenyl)-N-(2-pyridin-4-ylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 649273) is 5-(4-methoxyphenyl)-N-(2-pyridin-4-ylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-(4-methoxyphenyl)-N-(2-pyridin-4-ylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-(4-methoxyphenyl)-N-(2-pyridin-4-ylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is COc1ccc(-c2cc(NCCc3ccncc3)n3ncnc3n2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-N-(2-pyridin-4-ylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is WLRTVEZBMDSCMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O/c1-26-16-4-2-15(3-5-16)17-12-18(25-19(24-17)22-13-23-25)21-11-8-14-6-9-20-10-7-14/h2-7,9-10,12-13,21H,8,11H2,1H3.
What are the key properties of 5-(4-methoxyphenyl)-N-(2-pyridin-4-ylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-(4-methoxyphenyl)-N-(2-pyridin-4-ylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 346.39 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-N-(2-pyridin-4-ylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 649273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).